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. Author manuscript; available in PMC: 2021 Jul 2.
Published in final edited form as: J Org Chem. 2020 Jun 17;85(13):8462–8479. doi: 10.1021/acs.joc.0c00783

Table 5.

The 13C NMR data of 10−16 (CD3OD, 100 MHz).

Unit Ring No 10a 11b 12b 13b 14b 15a 16b
δC δC δC δC δC δC δC
Rotamer A Rotamer B Major Major Major Major A Minor B Major A Minor B Rotamer A Rotamer B
I C 2 77.7 77.0 77.1 77.1 100.0 100.0 100.0 76.7 78.0 100.2 100.2
3 73.5 72.8 73.2 73.3 67.1 67.2 68.4 72.9 73.0 67.7 67.7
4 36.7 37.5 37.1 37.2 28.8 28.8 29.4 37.5 36.6 29.4 29.4
A 5 158.2 156.8 158.1 158.1 156.7 156.7 157.2 157.7 157.8 156.7 156.7
6 95.6 95.5 95.9 96.3 98.3 98.2 98.2 95.6 95.9 97.8 97.8
7 157.8 157.9 158.0 158.1 157.8 157.8 158.1 157.7 157.5 158.1 158.1
8 95.3 95.7 96.3 96.1 96.4 96.4 96.5 95.6 95.3 96.4 96.4
9 157.7 157.8 157.9 157.9 154.2 154.2 154.2 157.8 156.9 153.9 153.9
10 103.4 102.2 101.9 101.9 105.0 104.9 104.2 102.1 103.2 103.7 103.8
B 1’ 132.9 132.6 132.5 132.6 132.4 132.4 132.6 132.0 132.7 132.2 132.2
2’ 115.2 115.1 115.1 115.1 115.7 115.8 115.6 115.0 115.5 115.5 115.5
3’ 145.9 145.8 145.7 145.8 145.5 145.5 145.6 145.5 145.5 145.5 145.5
4’ 145.6 145.5 145.4 145.5 146.6 146.6 146.7 145.8 145.5 146.7 146.7
5’ 115.8 115.6 115.8 115.8 115.7 115.6 115.8 115.6 115.8 115.5 115.5
6’ 119.4 119.1 119.3 119.3 120.0 120.0 119.7 119.1 120.1 119.8 119.8
II F 2 99.9 100.1 100.5 100.8 78.6 78.5 79.0 100.0 99.7 84.8 84.8
3 67.6 67.7 67.4 67.5 72.4 72.3 72.7 67.6 68.0 73.7 73.7
4 29.1 29.6 29.3 29.5 38.3 38.2 37.7 29.5 29.0 38.7 39.5
D 5 154.9 154.1 155.2 155.3 155.9 155.9 157.0 154.5 155.1 156.1 156.0
6 111.3 110.6 99.2 99.0 95.9 95.9 96.1 110.4 110.9 97.6 97.3
7 156.2 157.1 157.0 157.1 151.0 151.0 152.4 157.2 156.5 151.8 152.1
8 96.4 97.5 108.3 108.4 106.1 106.1 106.6 97.4 96.5 107.0 106.8
9 152.0 152.1 151.1 151.2 151.7 151.8 152.4 152.1 152.2 152.5 152.5
10 104.2 103.9 103.8 103.9 106.5 106.4 105.8 104.2 103.8 108.5 108.8
E 1’ 132.1 132.1 132.2 132.3 131.5 130.8 130.3 132.5 132.1 131.1 131.1
2’ 115.5 115.5 115.5 115.6 116.5 130.6 131.2 115.5 115.5 116.0 116.0
3’ 145.6 145.6 145.6 145.7 146.0 116.0 115.8 145.6 145.4 146.1 146.1
4’ 146.7 146.8 146.7 146.8 146.3 158.3 158.2 146.7 146.6 146.7 146.7
5’ 115.4 115.4 115.7 115.7 116.1 116.0 115.8 115.4 115.5 116.0 116.0
6’ 119.7 119.7 120.0 120.1 121.0 130.6 131.2 119.8 119.7 121.0 121.0
III I 2 85.7 85.2 84.4 80.8 83.2 83.2 81.9 82.8 82.6 82.5 82.5
3 68.2 68.9 68.1 67.2 70.1 70.0 68.3 67.0 66.9 68.7 68.8
4 31.2 29.2 29.2 29.6 30.7 30.7 26.6 30.7 30.4 28.7 29.2
G 5 156.3 156.3 156.1 156.7 155.4 155.4 155.4 157.0 156.8 154.6 155.6
6 96.7 96.4 96.3 96.3 96.3 96.3 96.9 96.6 96.5 110.7 110.9
7 152.2 152.2 152.1 152.1 155.6 155.6 156.3 152.3 151.7 156.4 155.6
8 106.9 106.3 106.8 107.0 108.7 108.7 108.2 106.8 106.5 96.0 97.1
9 151.8 151.2 151.4 151.3 155.3 155.3 153.9 152.2 152.6 154.7 154.6
10 103.8 103.1 103.1 101.9 101.5 101.5 100.3 101.9 102.4 101.9 101.5
H 1’ 129.6 129.9 130.4 131.4 132.6 132.7 132.5 130.4 131.0 132.0 132.0
2’ 117.9 115.8 115.8 115.1 115.7 115.6 114.3 116.3 115.8 115.1 115.1
3’ 145.1 146.2 146.2 146.2 145.8 146.0 146.1 145.8 145.5 146.1 146.1
4’ 146.5 146.9 146.7 146.2 145.8 145.8 145.8 146.7 146.2 146.1 146.1
5’ 118.2 116.6 116.3 116.1 116.1 116.0 116.0 115.9 117.2 116.0 116.0
6’ 119.6 121.2 120.8 119.3 119.9 120.0 119.3 121.3 120.9 120.0 120.0
a

The NMR data were acquired at 255 K, and

a

were acquired at 278 K.